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FILO (Field Interaction Ligand Optimization): a simplex strategy for searching the optimal ligand interaction field in drug design. 2001 F. MELANI; P. GRATTERI; M. ADAMO; C. BONACCINI
GRID characterization of the phosphodiesterase 4 binding site 2002 C. Bonaccini; P. Gratteri; G. Cruciani
GRID-DOCKING STUDY ON LIGANDS ACTING AS INHIBITORS OF THE HUMAN PHOSPHODIESTERASE 4 2002 P. GRATTERI; C. BONACCINI; F. MELANI; M. ADAMO; V. DAL PIAZ; G. CRUCIANI
GRID INDEPENDENT DESCRIPTORS (GRIND) IN THE STUDY OF THE S-RECEPTOR SUBTYPE SELECTIVITY. 2002 P. GRATTERI; M. ROMANELLI; C. BONACCINI
New docking CFF91 parameters specific for cyclodextrin inclusion complexes 2003 F. Melani; P. Mura; M. Adamo; F. Maestrelli; P. Gratteri; C. Bonaccini
Field Interaction and Geometrical Overlap (FIGO): a new Simplex/experimental design-based computational procedure for superposing small ligand molecules. J. Med. Chem., 46(8), 1359-1371 (2003). 2003 F. Melani; P. Gratteri; M. Adamo; C. Bonaccini
GRIND-derived pharmacophore model for a series of α-tropanyl derivative ligands of the sigma-2 receptor 2004 P. GRATTERI; M. ROMANELLI; G. CRUCIANI; C. BONACCINI; F. MELANI
Searching for a reliable orientation of ligands in their binding site: Glide versus FIGO in the case study of PDE4 inhibitorsJ. Med. Chem., , 48(5), 1657-65 2005 P. Gratteri; C. Bonaccini; F. Melani
La casuarina ed il suo glucoside: sintesi e studio della loro interazione con glucoamilasi 2007 C. Parmeggiani; F. Cardona; C. Bonaccini; M. Chioccioli; P. Gratteri; A. Goti
Central Nicotinic receptors: structure, function, ligands, and therapeutic potential 2007 M. Romanelli; P. Gratteri; L. Guandalini; E. Martini; C. Bonaccini; F. Gualtieri
Tuning the Activity of Zn(II) Complexes in DNA Cleavage: Clues for Design of New Efficient Metallo-Hydrolases 2008 C.Bazzicalupi;A.Bencini;C.Bonaccini; C.Giorgi; P.Gratteri; S.Moro; M.Palumbo; A.Simionato; J.Sgrignani; C.Sissi; B. Valtancoli
Homology modeling, docking and MM-GBSA rescoring of benzodiazepine receptor ligands: structural features regulating alpha1-versus alpha5- subtype selectivity 2009 C.Bonaccini; C.Guarino; M.Chioccioli; S.Selleri; P.Gratteri
Insights into docking and scoring neuronal 42 nicotinic receptor agonists using Molecular Dynamics simulations and QM/MM calculations 2009 J.Sgrignani; C.Bonaccini; G.Grazioso; M.Chioccioli; A.Cavalli; P.Gratteri
Total Syntheses of Casuarine and its 6-O-alpha-Glucoside: Complementary Inhibition towards Glycoside Hydrolases of Families GH31 and GH37 2009 F. CARDONA; C. PARMEGGIANI; E. FAGGI; C. BONACCINi; P. GRATTERI; L. SIM; T. GLOSTER; S. ROBERTS; G. DAVIES; D. ROSE; A. GOTI
Synthesis, biological evaluation and docking studies of casuarine analogs: effects of structural modifications at ring B on inhibitory activity towards glucoamylase 2010 C.Bonaccini; M.Chioccioli; C.Parmeggiani; F.Cardona; D.Lo Re; G.Soldaini; P.Vogel; C.Bello; A.Goti; P.Gratteri
Modeling and Biological Investigations of an Unusual Behavior of Novel Synthesized Acridine- Based Polyamine Ligands in the Binding of Double Helix and G-Quadruplex DNA 2010 C. Bazzicalupi; M. Chioccioli; C. Sissi; E. Porcù; C. Bonaccini; C. Pivetta; A. Bencini; C. Giorgi; B. Valtancoli; F. Melani; P. Gratteri
Insights into the Conformational Switching Mechanism of the Human Vascular Endothelial Growth Factor Receptor Type 2 Kinase Domain 2012 M. Chioccioli; S. Marsili; C. Bonaccini; P. Procacci; P. Gratteri
Mostrati risultati da 1 a 17 di 17
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